methyl 3-(2-methylpropoxy)-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-methylpropoxy)-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
methyl 3-(2-methylpropoxy)-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1-benzothiophene-2-carboxylate
Compound characteristics
| Compound ID: | L312-0676 |
| Compound Name: | methyl 3-(2-methylpropoxy)-5-[(2-oxo-2H-1-benzopyran-3-carbonyl)amino]-1-benzothiophene-2-carboxylate |
| Molecular Weight: | 451.5 |
| Molecular Formula: | C24 H21 N O6 S |
| Smiles: | CC(C)COc1c2cc(ccc2sc1C(=O)OC)NC(C1=Cc2ccccc2OC1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1512 |
| logD: | 5.1457 |
| logSw: | -5.1726 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.844 |
| InChI Key: | XJFHIYCKJHFJBP-UHFFFAOYSA-N |